SCHEMBL16689461

SCHEMBL16689461

COC(=O)c1cc(CCc2ccccc2)sc1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPT P10636 5/20 0.58
HPGD P15428 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 1/20 0.47
KLF5 Q13887 1/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
ALOX15 P16050 5/20 0.46
HSD17B10 Q99714 4/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PLA2G2A P14555 3/20 0.44
CFTR P13569 1/20 0.44
TSHR P16473 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16689452 0.88 GAA (0.49) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL16689450 0.88 GAA (0.47) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL1564819 0.87 MAPT (0.59) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL3113232 0.86 GAA (0.66) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL16690704 0.86 GAA (0.54) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL16678767 0.86 GAA (0.52) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL6031033 0.85 GRM6 (0.44) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL16689460 0.85 ALDH1A1 (0.46) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL23827487 0.84 GAA (0.53) GAAALDH1A1MAPTHPGDMEN1
SCHEMBL16678709 0.83 ALDH1A1 (0.54) GAAALDH1A1MAPTHPGDMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP disclosed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 US disclosed
US-9278958-B2 Anti-cancer compounds KATHOLIEKE UNIVERSITEIT LEUVEN K.U. LEUVEN R&D (BE) 2016-03-08 US disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 US disclosed
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS UNIVERSITA DEGLI STUDI DI FERRARA (IT) 2015-05-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150126559-A1 NOVEL ANTI-CANCER COMPOUNDS ATP5F1A, TP53, ABCF1 GAA 1316/4885ALDH1A1 266/4885MAPT 4801/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.